zinc 3-(1,3-diphenylbutyl)-2-oxidanyl-5-(1-phenylethyl)benzoate

Systemtic Name: zinc 3-(1,3-diphenylbutyl)-2-oxidanyl-5-(1-phenylethyl)benzoate Openeye Name: zinc 3-(1,3-diphenylbutyl)-2-hydroxy-5-(1-phenylethyl)benzoate CAS Name: zinc 3-(1,3-diphenylbutyl)-2-hydroxy-5-(1-phenylethyl)benzoate IUPAC Name: zinc 3-(1,3-diphenylbutyl)-2-hydroxy-5-(1-phenylethyl)benzoate Traditional Name: zinc 3-(1,3-diphenylbutyl)-2-hydroxy-5-(1-phenylethyl)benzoate Formula: C62H58O6Zn MolecularWeight: 964.52932

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)C2=C(C(=CC(=C2)C(C)C3=CC=CC=C3)C(=O)[O-])O)C4=CC=CC=C4.CC(CC(C1=CC=CC=C1)C2=C(C(=CC(=C2)C(C)C3=CC=CC=C3)C(=O)[O-])O)C4=CC=CC=C4.[Zn+2]

Isomeric SMILES

CC(CC(C1=CC=CC=C1)C2=C(C(=CC(=C2)C(C)C3=CC=CC=C3)C(=O)[O-])O)C4=CC=CC=C4.CC(CC(C1=CC=CC=C1)C2=C(C(=CC(=C2)C(C)C3=CC=CC=C3)C(=O)[O-])O)C4=CC=CC=C4.[Zn+2]

InChI

InChI=1S/2C31H30O3.Zn/c2*1-21(23-12-6-3-7-13-23)18-27(25-16-10-5-11-17-25)28-19-26(20-29(30(28)32)31(33)34)22(2)24-14-8-4-9-15-24;/h2*3-17,19-22,27,32H,18H2,1-2H3,(H,33,34);/q;;+2/p-2